ChemSpider 2D Image | (2R,15Z)-N-[(2S,3S,4R,11Z)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-icosenamide | C46H87NO10

(2R,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-icosenamide

  • Molecular FormulaC46H87NO10
  • Average mass814.184 Da
  • Monoisotopic mass813.632996 Da
  • ChemSpider ID44210947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-icosenamid [German] [ACD/IUPAC Name]
(2R,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosen-2-yl]-2-hydroxy-15-icosenamide [ACD/IUPAC Name]
(2R,15Z)-N-[(2S,3S,4R,11Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-11-icosén-2-yl]-2-hydroxy-15-icosénamide [French] [ACD/IUPAC Name]
15-Eicosenamide, N-[(1S,2S,3R,10Z)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-10-nonadecen-1-yl]-2-hydroxy-, (2R,15Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 937.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.7±6.0 kJ/mol
Flash Point: 520.5±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 230.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 12.28
ACD/LogD (pH 5.5): 9.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2763850.25
ACD/LogD (pH 7.4): 9.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2763825.75
Polar Surface Area: 189 Å2
Polarizability: 91.4±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 745.7±5.0 cm3

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